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7 Jan 2002: " $#&%'() ,---./10 243 24567 849 : 9/24: ;<9 0 :=84/ >9?@9 9 2A BCD4E 9 7 9 E FG0 9 7 FHD@9 I@J J J KLE 9 /: 90

24 Jan 2002: f̃(ω) =. dt f(t)eiωt ; f(t) =1. 2π. dω f̃(ω)eiωt (24). ... G(x,t) = dωdk. (2π2). ei(kxωt). ρω2 iγω Tk2(29). A. (24 January 2002) (TURN OVER.

11 May 2002: Yun et al. [19]. 1991. Seebeck(e). Open and closed. 0.01. 0.24, 500. ... Flow-type(d). closed. 0.1. 1.2, 440. Ota et al. [24]. 1992. Flow-type.

28 Oct 2002: Springborg M 2001 Chem. Phys. Lett. 339, 389. 24. ... Paine RT and Sneddon LG 1994 CHEMTECH 24 29. 35.

28 Oct 2002: R. T. Paine and L. G. Sneddon, CHEMTECH 24, 29 (1994).

28 Oct 2002: BN systems. Benzene. 2.24. 1.99. Borazine. PPV. 2.22. 1.98. PVB. PPP.

28 Oct 2002: Next: Why boron nitride polymers? Up: Material design from first Previous: Material design from first. Introduction. Recent advances in synthesis and nanofabrication technologies have dramatically broadened the range of materials that can be

29 Oct 2002: Next: About this document. Up: Total-energy calculations on a Previous: Basis for the fine. Bibliography. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., and Joannopolous, J. D.,. Rev. Mod. Phys. 64 (1992) 1045. Kohn, W. and Sham, L. J.,.

29 Oct 2002: Our implementation follows the simplified version of Millam and Scuseria [24].

29 Oct 2002: 24). where. Similarly, we define a supplementary operator,. , that performs the same task, but for the fine grid representation:.